Geometry & MOs

Info

ID:

309282

PubChem CID:

126542031

Reduced:

SN5O5C28H45 (1)

Stoich.:

AB5C5D28E45 (1)

Weight, g/mol:

603.289069

ΔHf, kcal/mol:

-235.68

Dipole, Da:

9.08

IP(EA), eV:

 -9.17(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(E)-4-[(4-amino-3-fluorophenyl)sulfonylamino]-3-methyl-4-oxobut-2-enyl]-N,3,3-trimethyl-2-[[(2S)-3-methyl-2-(methylamino)-3-phenylbutanoyl]amino]butanamide

Drug info:

PubChemData

Smile

CC(C)[C@@H](/C=C(\C)/C(=O)NS(=O)(=O)C1=CC=C(C=C1)N)N(C)C(=O)C(C(C)(C)C)NC(=O)[C@H]2CCCCN2C

DOS

IR

Vibrations